Chemical Properties of 7-epi-«alpha»-Selinene (CAS 123123-37-5)

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6,13-14H,1,5,7-10H2,2-4H3

InChI Key

OZQAPQSEYFAMCY-UHFFFAOYSA-N

Formula

C15H24

SMILES

C=C(C)C1CCC2(C)CCC=C(C)C2C1

Molecular Weight¹

204.35

CAS

123123-37-5

Other Names

• 7 epi-a-Selinene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	234.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.12	kJ/mol	Joback Calculated Property
ΔfusH°	15.49	kJ/mol	Joback Calculated Property
ΔvapH°	48.40	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[1470.00; 1553.00]
Inp	1516.00		NIST
Inp	1493.00		NIST
Inp	1518.00		NIST
Inp	1517.00		NIST
Inp	1517.00		NIST
Inp	1521.00		NIST
Inp	1510.00		NIST
Inp	1517.00		NIST
Inp	1517.00		NIST
Inp	1503.00		NIST
Inp	1516.00		NIST
Inp	1515.00		NIST
Inp	1540.00		NIST
Inp	1518.00		NIST
Inp	1511.00		NIST
Inp	1524.00		NIST
Inp	1523.00		NIST
Inp	1515.00		NIST
Inp	1517.00		NIST
Inp	1524.80		NIST
Inp	1522.00		NIST
Inp	1530.00		NIST
Inp	1522.00		NIST
Inp	1513.00		NIST
Inp	1522.00		NIST
Inp	1512.00		NIST
Inp	1508.00		NIST
Inp	1517.00		NIST
Inp	1519.00		NIST
Inp	1524.00		NIST
Inp	Outlier 1548.00		NIST
Inp	1515.00		NIST
Inp	1514.00		NIST
Inp	1494.00		NIST
Inp	1506.00		NIST
Inp	Outlier 1486.00		NIST
Inp	1511.00		NIST
Inp	1518.00		NIST
Inp	1508.00		NIST
Inp	Outlier 1470.00		NIST
Inp	1516.00		NIST
Inp	1517.00		NIST
Inp	1492.00		NIST
Inp	1518.00		NIST
Inp	1527.00		NIST
Inp	1526.00		NIST
Inp	1516.00		NIST
Inp	1534.00		NIST
Inp	1515.00		NIST
Inp	1514.00		NIST
Inp	Outlier 1553.00		NIST
Inp	1518.00		NIST
Inp	1514.00		NIST
Inp	1516.00		NIST
Inp	1513.00		NIST
Inp	1519.00		NIST
Inp	1494.00		NIST
Inp	1508.00		NIST
Inp	1518.00		NIST
Inp	1534.00		NIST
Inp	1514.00		NIST
I	[1754.00; 1775.00]
I	1758.00		NIST
I	1762.00		NIST
I	1754.00		NIST
I	1772.00		NIST
I	1775.00		NIST
I	1772.00		NIST
I	1758.00		NIST
Tboil	569.43	K	Joback Calculated Property
Tc	794.31	K	Joback Calculated Property
Tfus	297.83	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.65; 621.57]	J/mol×K	[569.43; 794.31]
Cp,gas	499.65	J/mol×K	569.43	Joback Calculated Property
Cp,gas	523.17	J/mol×K	606.91	Joback Calculated Property
Cp,gas	545.19	J/mol×K	644.39	Joback Calculated Property
Cp,gas	565.88	J/mol×K	681.87	Joback Calculated Property
Cp,gas	585.40	J/mol×K	719.35	Joback Calculated Property
Cp,gas	603.90	J/mol×K	756.83	Joback Calculated Property
Cp,gas	621.57	J/mol×K	794.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-epi-«alpha»-Selinene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.